5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one

C16H15N5O3 — CID 135976655

IUPAC5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2cccnc2)cc1OC
InChIInChI=1S/C16H15N5O3/c1-23-12-6-5-10(8-13(12)24-2)14-15(16(22)21-19-14)20-18-11-4-3-7-17-9-11/h3-9H,1-2H3,(H2,19,21,22)/b20-18+
InChIKeyDEAHSMVENSTORV-CZIZESTLSA-N
MW325.33 g/mol
LogP3.20
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one

5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one (PubChem CID 135976655) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one
PubChem CID135976655
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2cccnc2)cc1OC
InChIInChI=1S/C16H15N5O3/c1-23-12-6-5-10(8-13(12)24-2)14-15(16(22)21-19-14)20-18-11-4-3-7-17-9-11/h3-9H,1-2H3,(H2,19,21,22)/b20-18+
InChIKeyDEAHSMVENSTORV-CZIZESTLSA-N
XLogP3.20
TPSA104.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one (CID 135976655) is 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one is COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2cccnc2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one?
The InChIKey is DEAHSMVENSTORV-CZIZESTLSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-23-12-6-5-10(8-13(12)24-2)14-15(16(22)21-19-14)20-18-11-4-3-7-17-9-11/h3-9H,1-2H3,(H2,19,21,22)/b20-18+.
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one?
5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one has a molecular weight of 325.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yldiazenyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135976655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).